SCHEMBL20917797

SCHEMBL20917797

FC(F)(F)c1ccc(CCN2CN=C(SCc3ccccc3)NC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ MAOB P27338 1/20 0.45
▸ ALOX15B O15296 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ SCN9A Q15858 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.41
▸ TSHR P16473 2/20 0.40
▸ GPR84 Q9NQS5 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ DAO P14920 3/20 0.39
▸ ADRA1D P25100 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20932763 0.91 MAPT (0.41) MAPTALDH1A1CYP2C19MAOBALOX15B
SCHEMBL20917786 0.90 ALOX15B (0.46) MAPTALDH1A1MAOBALOX15BL3MBTL1
SCHEMBL22263101 0.85 ALDH1A1 (0.49) MAPTALDH1A1CYP2C19MAOBALOX15B
SCHEMBL22262985 0.84 GPR84 (0.38) MAPTALDH1A1CYP2C19SCN9ASMN1; SMN2
SCHEMBL22275610 0.82 PPARD (0.38) MAPTALDH1A1CYP2C19SCN9ASMN1; SMN2
SCHEMBL22263183 0.82 ALDH1A1 (0.53) ALDH1A1CYP2C19GAASMN1; SMN2RAB9A
SCHEMBL19019919 0.81 HIF1A (0.47) MAPTALOX15BL3MBTL1CYP3A4MAPK1
SCHEMBL20917798 0.81 SLC6A4 (0.36) MAPTALDH1A1CYP2C19SCN9ASMN1; SMN2
SCHEMBL20920201 0.81 KDM4E (0.41) MAPTALDH1A1ALOX15BL3MBTL1GAA
SCHEMBL20932777 0.78 TAAR1 (0.45) ALDH1A1CYP2C19GAASMN1; SMN2RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200239452-A1 IDO/TDO Inhibitor CANBAS CO., LTD. (JP) 2020-07-30 — — US disclosed
WO-2019078246-A1 IDO/TDO INHIBITOR 一般社団法人ファルマバレープロジェクト支援機構 2019-04-25 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200239452-A1 IDO/TDO Inhibitor IDO1, IDO2, TDO2 MAPT 609/4885ALDH1A1 3331/4885CYP2C19 573/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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